CAS Num: 017912-87-7
SMILES : c12OC(c4cc(O)c(O)c(O)c4)=C(OC3OC(C)C(O)C(O)C3O)C(=O)c1c(O)cc(O)c2
CHEM   : 
MOL FOR: C21 H20 O12 
MOL WT : 464.39
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  0.38

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  740.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  324.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5E-023  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.66E-021  (Modified Grain method)
    Subcooled liquid VP: 1.22E-019 mm Hg (25 deg C, Mod-Grain method)
                       : 1.62E-017 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2195
       log Kow used: 0.38 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ketones
       Vinyl/Allyl Ethers
       Phenols, Poly 

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.80E-034  atm-m3/mole  (1.83E-029 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.392E-026 atm-m3/mole  (1.410E-021 Pa-m3/mole)
      VP:   5E-023 mm Hg (source: MPBPVP)
      WS:   2.2E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.38  (KowWin est)
  Log Kaw used:  -32.133  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  32.513
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0257
   Biowin2 (Non-Linear Model)     :   0.3202
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8368  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8000  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5466
   Biowin6 (MITI Non-Linear Model):   0.0258
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6456
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.63E-017 Pa (1.22E-019 mm Hg)
  Log Koa (Koawin est  ): 32.513
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.84E+011 
       Octanol/air (Koa) model:  8E+019 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 305.4444 E-12 cm3/molecule-sec
      Half-Life =     0.035 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    25.213 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    52.500000 E-17 cm3/molecule-sec
      Half-Life =     0.022 Days (at 7E11 mol/cm3)
      Half-Life =     31.433 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  100.9  L/kg (MCI method)
      Log Koc:  2.004       (MCI method)
      Koc    :  16.48  L/kg (Kow method)
      Log Koc:  1.217       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -4.4411 days (HL = 3.622e-005 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.028 (BCF = 0.9382)
   Log BAF Arnot-Gobas method (upper trophic) = -0.028 (BAF = 0.9382)
       log Kow used: 0.38 (estimated)

 Volatilization from Water:
    Henry LC:  1.8E-034 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 7.009E+030  hours   (2.921E+029 days)
    Half-Life from Model Lake : 7.647E+031  hours   (3.186E+030 days)

 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.42e-014       0.323        1000       
   Water     19.3            360          1000       
   Soil      80.6            720          1000       
   Sediment  0.114           3.24e+003    0          
     Persistence Time: 746 hr